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Sugi Predict / Compounds / SCHEMBL3870837

SCHEMBL3870837

SCHEMBL3870837

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.62
▸ NPY5R Q15761 9/20 0.62
▸ NPY1R P25929 9/20 0.62
▸ NPY2R P49146 6/20 0.62
▸ KISS1R Q969F8 1/20 0.55
▸ TFPI P10646 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3217498 0.97 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL30522316 0.93 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL31277748 0.93 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL31437674 0.90 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL31437671 0.89 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL30522315 0.89 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL30618025 0.89 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL30601532 0.89 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL29790419 0.88 NPY4R (0.66) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL29959071 0.88 NPY4R (0.64) NPY4RNPY5RNPY1RNPY2RKISS1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040758-A2 BIORESPONSIVE POLYMERS Interface Biologics Inc. (CA) 2009-04-01 — — EP disclosed
WO-2008053362-A2 BIORESPONSIVE POLYMERS INTERFACE BIOLOGICS, INC. (CA) 2008-05-08 — — WO disclosed
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